6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (CHEBI:46087)

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ChEBI Name	6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium

ChEBI ID	CHEBI:46087

Definition	A carboxamidinium ion consisting of 2,3,4,5-tetrahydropyridinium having a (4-aminobenzyl)amino group at the 2-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H18N3

Net Charge

Average Mass

204.29140

Monoisotopic Mass

204.14952

InChI

InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1

InChIKey

FWTCHDHYLQERRE-UHFFFAOYSA-O

SMILES

Nc1ccc(CNC2=[NH+]CCCC2)cc1

Roles Classification
Biological Role(s):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (CHEBI:46087) has role epitope (CHEBI:53000) 6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium (CHEBI:46087) is a carboxamidinium ion (CHEBI:77718)

IUPAC Name

6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium

Synonyms	Sources
2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	PDBeChem
6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium	PDBeChem

Citation	Type	Source
10963661	PubMed citation	Europe PMC

Last Modified

11 January 2017